RefChem:328963
TL;DR: RefChem:328963 (CAS 116509-61-6) is a chemical compound with molecular formula C27H29ClN4O9S and molecular weight 620.1344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]oxan-2-yl]methyl acetate;hydrochloride
Also Known As: beta-D-Galactopyranoside, 4-phenyl-5-(4-pyridinyl)4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4,6-tetraacetate, monohydrochloride, [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]oxan-2-yl]methyl acetate hydrochloride, 4-Phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-galactopyranoside--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C27H29ClN4O9S |
| Molecular Weight | 620.1344 g/mol |
| XLogP | 2.9263 |
| Topological Polar Surface Area (TPSA) | 183.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 620.1344 Da |
| Heavy Atoms | 42 |
| Complexity | 930.0 |
| SMILES | CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)OC(=O)C)OC(=O)C)OC(=O)C.Cl |
| InChIKey | UQYAESNAHXGCMG-ZFMSMJNSSA-N |
Chemical Property Profile of RefChem:328963
Property Insights of RefChem:328963
The XLogP value of 2.9263 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:328963. The TPSA of 183.0 Ų indicates high polarity, suggesting RefChem:328963 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:328963 has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:328963?
The CAS number of RefChem:328963 is 116509-61-6.
What is the molecular formula of RefChem:328963?
The molecular formula of RefChem:328963 is C27H29ClN4O9S.
What is the molecular weight of RefChem:328963?
The molecular weight of RefChem:328963 is 620.1344 g/mol.
Where can I buy RefChem:328963?
You can request a quote for RefChem:328963 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:328963?
Yes, CoreyChem provides custom synthesis services for RefChem:328963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.